BDBM16034 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::5-Substituted isophthalamide, 1::CHEMBL378225::Isophthalamide Derivative 24::L-000384950::N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::hydroxyethylamine (HEA) derived inhibitor 1

SMILES: C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1

InChI Key: InChIKey=VPNIQGRFZCTBEZ-UHFFFAOYSA-N

Data: 3 KI  37 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 16034   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 2 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
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Renin (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
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Cholinesterase (Horse)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	4.5	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	4.5	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 2 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	230	n/a	n/a	n/a	n/a	4.5	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	4.5	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	4.5	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
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Amyloid-beta precursor protein (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		233	-9.41	n/a	n/a	n/a	n/a	n/a	4.5	37
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Beta-secretase 2 (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		240	-9.39	n/a	n/a	n/a	n/a	n/a	4.5	37
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Cathepsin D (Human)	BDBM16034 (N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxy...) Show SMILES Show InChI	GoogleScholar	UniChem		448	-9.00	n/a	n/a	n/a	n/a	n/a	4.5	37
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